The research of our groups is centred around molecular recognitions studies in biological and biochemical systems. The molecular recognitions studies found the basis for design of biologically active novel compounds as drug leads and as chemical biology tool compounds.
Our expertise includes:
– computer- aided drug design of new biologically active compounds
– structure- and ligand-based design of enzyme inhibitors, receptor agonists and antagonists
– optimisation of affinity, selectivity, and ADMET properties
– design of biological tool compounds
– design of in vitro assays